(Gro-P)n-Gro-P-ManNAc-GlcNAc-PP-undecaprenol

Properties Image MNX_ID MNXM12981 reference metacycM:Teichoic-P-Gro formula C77H127N2O27P4* global charge -4 mol weight   InChIKey   InChI   SMILES [*]OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])O[C@H]1[C@H](O)[C@H](NC(C)=O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C78H134N2O27P4/c1-54(2)26-16-27-55(3)28-17-29-56(4)30-18-31-57(5)32-19-33-58(6)34-20-35-59(7)36-21-37-60(8)38-22-39-61(9)40-23-41-62(10)42-24-43-63(11)44-25-45-64(12)46-47-98-110(93,94)107-111(95,96)106-78-72(80-66(14)84)73(87)75(69(48-81)103-78)104-77-71(79-65(13)83)74(88)76(70(49-82)102-77)105-109(91,92)101-53-68(86)52-100-108(89,90)99-51-67(85)50-97-15/h26,28,30,32,34,36,38,40,42,44,46,67-78,81-82,85-88H,16-25,27,29,31,33,35,37,39,41,43,45,47-53H2,1-15H3,(H,79,83)(H,80,84)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/b55-28+,56-30+,57-32-,58-34-,59-36-,60-38-,61-40-,62-42-,63-44-,64-46-/t67-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78-/m1/s1/i15+1 SMILES (mnx) [CH3:1][C:54]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:55]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:56]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:57]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:58]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:59]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:60]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:61]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:62]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:63]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:64]([CH3:12])=[CH:46]\[CH2:47][O:98][P:110]([OH:93])(=[O:94])[O:107][P:111]([OH:95])(=[O:96])[O:106][C@@H:78]1[C@H:72]([N:80]=[C:66]([CH3:14])[OH:84])[C@@H:73]([OH:87])[C@H:75]([O:104][C@H:77]2[C@@H:71]([N:79]=[C:65]([CH3:13])[OH:83])[C@@H:74]([OH:88])[C@H:76]([O:105][P:109]([OH:91])(=[O:92])[O:101][CH2:53][C@@H:68]([CH2:52][O:100][P:108]([OH:89])(=[O:90])[O:99][CH2:51][C@@H:67]([CH2:50][O:97][13CH3:15])[OH:85])[OH:86])[C@@H:70]([CH2:49][OH:82])[O:102]2)[C@@H:69]([CH2:48][OH:81])[O:103]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0